N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide

C17H23N3O — CID 2467109

IUPACN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide
SMILESCC(C)[C@H](NC(=O)C1CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H23N3O/c1-11(2)15(20-17(21)12-7-3-4-8-12)16-18-13-9-5-6-10-14(13)19-16/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyLKOHCEMUGKIOMX-HNNXBMFYSA-N
MW285.39 g/mol
LogP3.57
Rot. Bonds4

About N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide

N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide (PubChem CID 2467109) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide
PubChem CID2467109
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide
SMILESCC(C)[C@H](NC(=O)C1CCCC1)c1nc2ccccc2[nH]1
InChIInChI=1S/C17H23N3O/c1-11(2)15(20-17(21)12-7-3-4-8-12)16-18-13-9-5-6-10-14(13)19-16/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1
InChIKeyLKOHCEMUGKIOMX-HNNXBMFYSA-N
XLogP3.57
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

Pf-06305591
CID 71666749
1H-Benzimidazole-2-pentanamine
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N-(1H-1,3-benzodiazol-2-yl)acetamide
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2-(2-methylpropyl)-1H-1,3-benzodiazole
CID 583438
N-1H-Benzimidazol-2-yl-N'-methylcarbamimidic acid
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N-[(1H-1,3-benzodiazol-2-yl)methyl]benzamide
CID 687915
N-[(1s,4s)-4-(1H-benzimidazol-2-yl)cyclohexyl]-N~2~-[(1H-indol-2-yl)methyl]glycinamide
CID 162396665
4-[(4-Aminocyclohexyl)amino]-3-(1h-Benzimidazol-2-Yl)-1h-Pyridin-2-One
CID 135567142
(2S)-N-[1-(1H-1,3-benzodiazol-2-yl)-5-carbamimidamido-1-oxopentan-2-yl]-1-[(2R)-2-(methylamino)-3-phenylpropanoyl]pyrrolidine-2-carboxamide
CID 23646599
N-(2-methylpropyl)-N-[(3S,5R)-5-(morpholine-4-carbonyl)piperidin-3-yl]-1H-benzimidazole-2-carboxamide
CID 58355176

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide?
The IUPAC name of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide (CID 2467109) is N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide?
The canonical SMILES for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide is CC(C)[C@H](NC(=O)C1CCCC1)c1nc2ccccc2[nH]1.
What is the InChIKey of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide?
The InChIKey is LKOHCEMUGKIOMX-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-11(2)15(20-17(21)12-7-3-4-8-12)16-18-13-9-5-6-10-14(13)19-16/h5-6,9-12,15H,3-4,7-8H2,1-2H3,(H,18,19)(H,20,21)/t15-/m0/s1.
What are the key properties of N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide?
N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide has a molecular weight of 285.39 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]cyclopentanecarboxamide is sourced from PubChem (CID 2467109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).